2-[(3Z)-3-[(3-chlorophenyl)methylidene]-6-fluoro-2-methylinden-1-yl]acetic acid

C19H14ClFO2 — CID 164619202

IUPAC2-[(3Z)-3-[(3-chlorophenyl)methylidene]-6-fluoro-2-methylinden-1-yl]acetic acid
SMILESCC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1cccc(Cl)c1
InChIInChI=1S/C19H14ClFO2/c1-11-16(8-12-3-2-4-13(20)7-12)15-6-5-14(21)9-18(15)17(11)10-19(22)23/h2-9H,10H2,1H3,(H,22,23)/b16-8-
InChIKeyMPMFXIWOYQFEJJ-PXNMLYILSA-N
MW328.77 g/mol
LogP5.28
Rot. Bonds3

About 2-[(3Z)-3-[(3-chlorophenyl)methylidene]-6-fluoro-2-methylinden-1-yl]acetic acid

2-[(3Z)-3-[(3-chlorophenyl)methylidene]-6-fluoro-2-methylinden-1-yl]acetic acid (PubChem CID 164619202) has the molecular formula C19H14ClFO2 and a molecular weight of 328.77 g/mol. Its IUPAC name is 2-[(3Z)-3-[(3-chlorophenyl)methylidene]-6-fluoro-2-methylinden-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3Z)-3-[(3-chlorophenyl)methylidene]-6-fluoro-2-methylinden-1-yl]acetic acid
PubChem CID164619202
Molecular FormulaC19H14ClFO2
Molecular Weight328.77 g/mol
Exact Mass328.07
IUPAC Name2-[(3Z)-3-[(3-chlorophenyl)methylidene]-6-fluoro-2-methylinden-1-yl]acetic acid
SMILESCC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1cccc(Cl)c1
InChIInChI=1S/C19H14ClFO2/c1-11-16(8-12-3-2-4-13(20)7-12)15-6-5-14(21)9-18(15)17(11)10-19(22)23/h2-9H,10H2,1H3,(H,22,23)/b16-8-
InChIKeyMPMFXIWOYQFEJJ-PXNMLYILSA-N
XLogP5.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.77
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3Z)-3-[(3-chlorophenyl)methylidene]-6-fluoro-2-methylinden-1-yl]acetic acid?
The IUPAC name of 2-[(3Z)-3-[(3-chlorophenyl)methylidene]-6-fluoro-2-methylinden-1-yl]acetic acid (CID 164619202) is 2-[(3Z)-3-[(3-chlorophenyl)methylidene]-6-fluoro-2-methylinden-1-yl]acetic acid.
What is the SMILES notation for 2-[(3Z)-3-[(3-chlorophenyl)methylidene]-6-fluoro-2-methylinden-1-yl]acetic acid?
The canonical SMILES for 2-[(3Z)-3-[(3-chlorophenyl)methylidene]-6-fluoro-2-methylinden-1-yl]acetic acid is CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1cccc(Cl)c1.
What is the InChIKey of 2-[(3Z)-3-[(3-chlorophenyl)methylidene]-6-fluoro-2-methylinden-1-yl]acetic acid?
The InChIKey is MPMFXIWOYQFEJJ-PXNMLYILSA-N. The full InChI is InChI=1S/C19H14ClFO2/c1-11-16(8-12-3-2-4-13(20)7-12)15-6-5-14(21)9-18(15)17(11)10-19(22)23/h2-9H,10H2,1H3,(H,22,23)/b16-8-.
What are the key properties of 2-[(3Z)-3-[(3-chlorophenyl)methylidene]-6-fluoro-2-methylinden-1-yl]acetic acid?
2-[(3Z)-3-[(3-chlorophenyl)methylidene]-6-fluoro-2-methylinden-1-yl]acetic acid has a molecular weight of 328.77 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z)-3-[(3-chlorophenyl)methylidene]-6-fluoro-2-methylinden-1-yl]acetic acid is sourced from PubChem (CID 164619202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).